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Information card for entry 1565737
Preview
| Coordinates | 1565737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 Cl4 N3 O2 P3 |
|---|---|
| Calculated formula | C12 H8 Cl4 N3 O2 P3 |
| SMILES | ClP1(Cl)=NP2(Oc3ccccc3c3ccccc3O2)=NP(Cl)(Cl)=N1 |
| Title of publication | Synthesis, characterization and photophysical properties of cyclotriphosphazenes including heterocyclic rings |
| Authors of publication | İbişoğlu, Hanife; Erdemir, Eda; Atilla, Devrim; Zorlu, Yunus; Şenkuytu, Elif |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2019 |
| Journal volume | 498 |
| Pages of publication | 119120 |
| a | 8.278 ± 0.003 Å |
| b | 9.383 ± 0.003 Å |
| c | 12.172 ± 0.004 Å |
| α | 87.973 ± 0.009° |
| β | 85.334 ± 0.009° |
| γ | 76.965 ± 0.007° |
| Cell volume | 917.9 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271390 (current) | 2021-12-14 | cif/ Adding structures of 1565737 via cif-deposit CGI script. |
1565737.cif |
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Users of the data should acknowledge the original authors of the
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